2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide

C14H20ClF4N3O — CID 19535664

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
SMILESCCCCCCNC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C14H20ClF4N3O/c1-3-4-5-6-7-20-14(23)8(2)22-11(13(18)19)9(15)10(21-22)12(16)17/h8,12-13H,3-7H2,1-2H3,(H,20,23)
InChIKeyVUIGEVFDDLIWMD-UHFFFAOYSA-N
MW357.78 g/mol
LogP4.67
Rot. Bonds9

About 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide (PubChem CID 19535664) has the molecular formula C14H20ClF4N3O and a molecular weight of 357.78 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
PubChem CID19535664
Molecular FormulaC14H20ClF4N3O
Molecular Weight357.78 g/mol
Exact Mass357.12
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
SMILESCCCCCCNC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C14H20ClF4N3O/c1-3-4-5-6-7-20-14(23)8(2)22-11(13(18)19)9(15)10(21-22)12(16)17/h8,12-13H,3-7H2,1-2H3,(H,20,23)
InChIKeyVUIGEVFDDLIWMD-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.78
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 19535918
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535930
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535671
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
CID 19535896
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19535845
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19535702
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692
ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19535713
1-[1-oxo-1-(pentylamino)propan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid
CID 62054362
N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide
CID 19535673
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19535765

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide (CID 19535664) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide is CCCCCCNC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide?
The InChIKey is VUIGEVFDDLIWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF4N3O/c1-3-4-5-6-7-20-14(23)8(2)22-11(13(18)19)9(15)10(21-22)12(16)17/h8,12-13H,3-7H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide has a molecular weight of 357.78 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide is sourced from PubChem (CID 19535664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).